Paulechka Eugene, Riccardi Demian, Bazyleva Ala, Ribeiro da Silva Maria D M C, Zaitsau Dzmitry
Thermodynamics Research Center, NIST, Boulder, CO.
Centro de Investigação em Química, Department of Chemistry and Biochemistry, Faculty of Science, University of Porto, Porto, Portugal.
J Chem Thermodyn. 2021 Jul;158. doi: 10.1016/j.jct.2021.106425.
Combustion calorimetry is the predominant method for determination of enthalpies of formation for organic compounds. Both initial and final states of the calorimeter deviate significantly from the standard conditions. Correction of the obtained results to the standard state must be applied as accurately as possible to determine the combustion energy with an acceptable uncertainty, which is typically a few hundredths of a percent. The correction procedures in their current form were introduced in 1956 with simplifications to allow application in a pre-computer era. In this work, the procedures have been updated with respect to both the equations and reference values. The most reliable data sources are identified, and the updated algorithm is presented in the form of a Web-based tool available through the NIST TRC Web site.
燃烧量热法是测定有机化合物生成焓的主要方法。量热计的初始和最终状态均与标准条件有显著偏差。必须尽可能精确地将所得结果校正至标准状态，以确定具有可接受不确定度的燃烧能，该不确定度通常为百分之几。当前形式的校正程序于1956年引入，并进行了简化以便在计算机时代之前应用。在这项工作中，对程序的方程和参考值都进行了更新。确定了最可靠的数据来源，并以通过美国国家标准与技术研究院（NIST）化学参考数据库（TRC）网站提供的基于网络的工具形式呈现了更新后的算法。
